methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate

C23H18O4 — CID 91726916

IUPACmethyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate
SMILESCOC(=O)C12Oc3ccccc3C1C(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C23H18O4/c1-25-21(24)23-20(18-14-8-9-15-19(18)26-23)22(27-23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
InChIKeyJHIFAIBIPOFIFY-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.01
Rot. Bonds3

About methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate

methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate (PubChem CID 91726916) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate
PubChem CID91726916
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Namemethyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate
SMILESCOC(=O)C12Oc3ccccc3C1C(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C23H18O4/c1-25-21(24)23-20(18-14-8-9-15-19(18)26-23)22(27-23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
InChIKeyJHIFAIBIPOFIFY-UHFFFAOYSA-N
XLogP4.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S,4S)-2,3-dihydroxy-4-(4-methoxyphenyl)-2-phenyl-4H-chromene-3-carboxylate
CID 164680983
(2R,2aR,7aR)-1'-acetyl-7a-phenylspiro[2aH-oxeto[2,3-b][1]benzofuran-2,3'-indole]-2'-one
CID 10981857
methyl (2S,3R)-3-anilino-2-(4-fluorophenyl)-3H-1-benzofuran-2-carboxylate
CID 146166768
trans-dimethyl (2R,3S)-2,3-dimethyl-2-phenylcyclopropane-1,1-dicarboxylate
CID 134966090
methyl 2-ethyl-3-methyl-3-phenyloxirane-2-carboxylate
CID 14984831
(1a-phenyl-7,7a-dihydro-1H-cyclopropa[b]chromen-7-yl) acetate
CID 11312023
(3-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) carbamate
CID 154161805
methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate
CID 14077313
dimethyl 9-oxahexacyclo[8.6.0.02,12.03,8.011,13.014,16]hexadeca-3,5,7-triene-10,11-dicarboxylate
CID 101125202
2,2-diphenyl-3,4-dihydrochromen-4-ol
CID 56694912
methyl (4S,4aS,9aS)-1,4-dibromo-3-oxo-4-phenyl-9,9a-dihydro-4aH-indeno[2,1-c]pyran-1-carboxylate
CID 10696076
methyl 3-phenyl-2,3-di(propan-2-yl)oxirane-2-carboxylate
CID 79299180

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate?
The IUPAC name of methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate (CID 91726916) is methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate.
What is the SMILES notation for methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate?
The canonical SMILES for methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate is COC(=O)C12Oc3ccccc3C1C(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate?
The InChIKey is JHIFAIBIPOFIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c1-25-21(24)23-20(18-14-8-9-15-19(18)26-23)22(27-23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3.
What are the key properties of methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate?
methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-diphenyl-2aH-oxeto[2,3-b][1]benzofuran-7a-carboxylate is sourced from PubChem (CID 91726916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).